chempirical

3-Methyl-3-oxetanecarboxylic Acid

C5H8O3CAS 28562-68-7116.12 g/mol

Open in Covalent MOL file
OOHO
Carboxylic acidEther

Properties

Molecular formula
C5H8O3
Molar mass
116.12 g/mol
Exact mass
116.0473 Da
logP
0.11Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
28562-68-7
SMILES
CC1(COC1)C(=O)O
InChIKey
PMPZEEUNGQSAIQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O3/c1-5(4(6)7)2-8-3-5/h2-3H2,1H3,(H,6,7)

Weigh it out

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Names and synonyms

1 names
  • 3-Oxetanecarboxylic acid, 3-methyl

Work with 3-Methyl-3-oxetanecarboxylic Acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2H-Pyran-4-carboxylicacid,tetrahydro-4-methyl-(9ci)233276-38-563 % similar 1-Methylcyclopropanecarboxylic acid6914-76-763 % similar 1-Methylcyclobutanecarboxylic acid32936-76-858 % similar Dimethylolpropionic acid4767-03-758 % similar 1-Methylcyclohexanecarboxylic acid1123-25-756 % similar 3-Aminooxetane-3-carboxylic acid138650-24-550 % similar Dimethylmalonic acid595-46-044 % similar Pivalic acid75-98-944 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl acetoacetate105-45-3 Levulinic acid123-76-2 Methyl 4-oxobutanoate13865-19-5 Tetrahydro-2-furoic acid16874-33-2 Alpha-ketovaleric acid1821-02-9 3-Hydroxycyclobutanecarboxylic acid194788-10-8 (S)-5-Hydroxymethyldihydrofuran-2-one32780-06-6 3-Oxo-propionic acid ethyl ester34780-29-5

Elsewhere

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